return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for F-C

17 01 10 14 40

HF/Def2TZVPP

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.30 are in the 2.30 bin. Values less than 1.10 are in the 1.10 bin.

histogram chart 250 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 200 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 150 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 100 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 50 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line line line line line line
1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00 2.10 2.20 2.30
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.332 0.096

  Species Name Bond Length (Å)
Lowest value CF+ carbon monofluoride cation 1.135
Highest value CF2O+ Carbonic difluoride cation 2.137

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CF- carbon monofluoride anion 1.259 1 2
CF Fluoromethylidyne 1.258 1 2
CF+ carbon monofluoride cation 1.135 1 2
CH2F fluoromethyl radical 1.413 1 2
CH2F+ fluoromethyl cation 1.210 1 2
CD3F methylfluoride-d3 1.361 1 2
CH3F Methyl fluoride 1.361 1 2
CH3F+ methyl fluoride cation 1.251 1 2
FCN Cyanogen fluoride 1.244 1 2
FCO Carbonyl fluoride 1.296 1 2
FCO+ Carbonyl fluoride cation 1.182 1 2
CF2- Difluoromethylene anion 1.358 1 2
    1.358 1 3
CF2 Difluoromethylene 1.272 1 2
    1.272 1 3
CF2+ Difluoromethylene cation 1.242 1 2
    1.242 1 3
CFCl chlorofluoromethylene 1.268 1 2
HFCO formyl fluoride 1.315 1 3
CHF2 difluoromethyl radical 1.306 1 3
    1.306 1 4
CHF2+ difluoromethyl cation 1.208 1 3
    1.208 1 4
HCCF Fluoroacetylene 1.257 1 3
HCCF+ fluoroacetylene cation 1.211 1 3
CHFCl Chlorofluoromethyl radical 1.309 1 3
CHFCl+ Chlorofluoromethyl cation 1.225 1 3
CH2F2 Methane, difluoro- 1.333 1 4
    1.333 1 5
CH2FCl fluorochloromethane 1.337 1 2
CH2BrF Methane, bromofluoro- 1.335 1 2
CH2FI fluoroiodomethane 1.338 1 2
CH2CHF Ethene, fluoro- 1.321 1 3
CH2CHF+ fluoroethene cation 1.253 1 3
CH2FOH fluoromethanol 1.357 1 2
C2H5F fluoroethane 1.365 1 3
CF2O Carbonic difluoride 1.283 2 3
    1.283 2 4
CF2O+ Carbonic difluoride cation 2.137 1 3
    2.137 1 4
C2F2 difluoroacetylene 1.267 1 3
    1.267 2 4
CF3- Trifluoromethyl anion 1.479 1 2
    1.479 1 3
    1.479 1 4
CF3 Trifluoromethyl radical 1.430 1 2
    1.430 1 3
    1.430 1 4
CF3+ Trifluoromethyl cation 1.428 1 2
    1.428 1 3
    1.428 1 4
COFCl Carbonic chloride fluoride 1.293 1 4
CFCl2 dichlorofluoromethyl radical 1.301 1 2
CHF3 Methane, trifluoro- 1.311 1 3
    1.311 1 4
    1.311 1 5
CHFCl2 fluorodichloromethane 1.324 1 3
CHF2Cl difluorochloromethane 1.753 1 3
    1.318 1 4
CHFClBr fluorochlorobromomethane 1.321 1 4
CHBrF2 Methane, bromodifluoro- 1.313 1 4
    1.313 1 5
CHBr2F dibromofluoromethane 1.321 1 3
CHFClI fluorochloroiodomethane 1.325 1 3
CH2CF2 Ethene, 1,1-difluoro- 1.289 2 5
    1.289 2 6
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.317 1 3
    1.317 2 4
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.322 1 3
    1.322 2 4
CH3COF Acetyl fluoride 1.326 1 4
CH3CHF2 Ethane, 1,1-difluoro- 1.340 1 4
    1.340 1 5
C2H4F2 1,2-difluoroethane 1.361 1 3
    1.361 2 4
CH2FCH2Cl Ethane, 1-chloro-2-fluoro- 1.366 2 4
CH3CHFCl Ethane, 1-chloro-1-fluoro- 1.351 1 4
CH2FCH2OH 2-fluoroethanol 1.371 2 4
CH2CHCH2F Allyl Fluoride 1.360 1 4
CH3CHFCH3 2-Fluoropropane 1.377 1 2
CH2FCH2CH3 1-Fluoropropane 1.370 1 4
CF4 Carbon tetrafluoride 1.292 1 2
    1.292 1 3
    1.292 1 4
    1.292 1 5
CFCl3 Trichloromonofluoromethane 1.313 1 2
CF2Cl2 difluorodichloromethane 1.305 1 2
    1.305 1 3
CF3Cl Methane, chlorotrifluoro- 1.300 1 3
    1.300 1 4
    1.300 1 5
CF3Br Bromotrifluoromethane 1.300 1 3
    1.300 1 4
    1.300 1 5
CFBr3 fluorotribromomethane 1.323 1 2
CBr2ClF dibromochlorofluoromethane 1.314 1 2
CBrCl2F bromodichlorofluoromethane 1.313 1 3
CBrClF2 Methane, bromochlorodifluoro- 1.307 1 4
    1.307 1 5
CFClBrI fluorochlorobromoiodomethane 1.318 1 2
CF2I2 difluorodiiodomethane 1.312 1 2
    1.312 1 3
CF3I trifluoroiodomethane 1.303 1 3
    1.303 1 4
    1.303 1 5
C2HF3 Trifluoroethylene 1.295 1 3
    1.295 1 4
    1.320 2 5
C2HF3+ Trifluoroethylene cation 1.232 1 3
    1.235 1 4
    1.257 2 5
CF3OH trifluoromethanol 1.298 1 3
    1.314 1 4
    1.314 1 5
CHBrCF2 1-Bromo-2,2-difluoroethylene 1.287 2 4
    1.294 2 5
CF3PH2 phosphine, (trifluoromethyl)- 1.507 1 3
    1.486 1 4
    1.486 1 5
CH3CF3 Ethane, 1,1,1-trifluoro- 1.663 2 6
    1.663 2 7
    1.663 2 8
CHF2CH2F Ethane, 1,1,2-trifluoro 1.355 1 3
    1.336 2 4
    1.332 2 5
CH3CF2Cl 1-Chloro-1,1-Difluoroethane 1.323 1 4
    1.323 1 5
CH3CFCl2 1,1-Dichloro-1-fluoroethane 1.331 1 3
CH2FCH2CH2F 1,3-difluoropropane 1.369 2 4
    1.369 3 5
C2F4 Tetrafluoroethylene 1.427 1 3
    1.427 1 4
    1.427 2 5
    1.427 2 6
C2F4+ Tetrafluoroethylene cation 1.421 1 3
    1.421 1 4
    1.421 2 5
    1.421 2 6
CF3CN Acetonitrile, trifluoro- 1.430 1 4
    1.430 1 5
    1.430 1 6
CF3CN+ Acetonitrile, trifluoro- cation 1.403 1 4
    1.342 1 5
    1.342 1 6
CF3OF Trifluoromethylhypofluorite 1.304 1 4
    1.315 1 5
    1.315 1 6
C4F2 difluorobutadiyne 1.256 3 5
    1.256 4 6
CF2CCl2 difluorodichloroethylene 1.287 1 3
    1.287 1 4
C2ClF3 Ethene, chlorotrifluoro- 1.290 1 3
    1.289 1 4
    1.309 2 5
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene 1.307 1 3
    1.307 2 4
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene 1.304 1 3
    1.304 2 4
CF3CHO trifluoroacetaldehyde 1.298 1 4
    1.315 1 5
    1.315 1 6
CF3COOH trifluoroacetic acid 1.300 1 5
    1.310 1 6
    1.310 1 7
CHF2CHF2 1,1,2,2-tetrafluoroethane 1.329 1 5
    1.329 1 6
    1.329 2 7
    1.329 2 8
CF3CH2F 1,1,1,2-tetrafluoroethane 1.317 1 3
    1.311 1 4
    1.311 1 5
    1.349 2 6
CF3CH2Cl 2,2,2-Trifluoroethyl chloride 1.318 2 6
    1.310 2 7
    1.310 2 8
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane 1.328 2 7
    1.328 2 8
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR 1.340 1 5
    1.340 2 6
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- 1.334 1 5
    1.334 2 6
CF3COF trifluoroacetyl fluoride 1.297 1 4
    1.308 1 5
    1.308 1 6
    1.300 2 7
F2CCCF2 tetrafluoroallene 1.290 2 4
    1.290 2 5
    1.290 3 6
    1.290 3 7
CF3COO- trifluoro acetate anion 1.323 1 3
    1.329 1 4
    1.329 1 5
CF3COCl trifluoroacetyl chloride 1.298 1 4
    1.307 1 5
    1.307 1 6
CF3CHF2 pentafluoroethane 1.304 1 3
    1.310 1 4
    1.310 1 5
    1.324 2 6
    1.324 2 7
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane 1.304 2 6
    1.310 2 7
    1.310 2 8
CF3CHFCl 1,1,1,2-tetrafluorochloroethane 1.333 1 4
    1.304 2 6
    1.311 2 7
    1.309 2 8
C6H5F Fluorobenzene 1.328 1 2
C2F6 hexafluoroethane 1.317 1 3
    1.317 1 4
    1.317 1 5
    1.317 2 6
    1.317 2 7
    1.317 2 8
C4F4 tetrafluorcyclobutadiene 1.297 1 5
    1.297 2 6
    1.297 3 7
    1.297 4 8
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 1.348 1 3
    1.317 2 7
    1.316 2 8
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane 1.310 1 5
    1.310 1 6
    1.310 2 7
    1.310 2 8
CF3CF2Cl pentafluorochloroethane 1.312 1 4
    1.312 1 5
    1.305 2 6
    1.303 2 7
    1.303 2 8
CF3CFCl2 1,1-Dichlorotetrafluoroethane 1.323 1 3
    1.303 2 6
    1.305 2 7
    1.305 2 8
C6H4F2 orthodifluorobenzene 1.321 1 7
    1.321 2 8
C6H4F2 1,4-difluorobenzene 1.324 1 7
    1.324 2 8
C3F6 hexafluoropropene 1.285 1 4
    1.283 1 5
    1.317 2 6
    1.306 3 7
    1.312 3 8
    1.312 3 9
C6H3F3 Benzene trifluoride 123 1.312 1 7
    1.315 2 8
    1.315 3 9
C4F6 perfluorobutadiene 1.287 1 5
    1.288 1 6
    1.323 2 7
    1.323 3 8
    1.288 4 9
    1.287 4 10
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- 1.292 2 3
    1.293 2 4
    1.293 2 5
C3F8 perfluoropropane 1.341 1 4
    1.341 1 5
    1.329 2 6
    1.323 2 8
    1.323 2 9
    1.329 3 7
    1.323 3 10
    1.323 3 11
C6F6 hexafluorobenzene 1.340 1 7
    1.340 2 8
    1.340 3 9
    1.340 4 10
    1.340 5 11
    1.340 6 12